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742100-67-0 | 5-Bromo-2-pyrrolidin-1-ylnicotinic acid
CAS No: 742100-67-0 Catalog No: AG01EX99 MDL No:
Product Description
Catalog Number:
AG01EX99
Chemical Name:
5-Bromo-2-pyrrolidin-1-ylnicotinic acid
CAS Number:
742100-67-0
Molecular Formula:
C10H11BrN2O2
Molecular Weight:
271.1105
IUPAC Name:
5-bromo-2-pyrrolidin-1-ylpyridine-3-carboxylic acid
InChI:
InChI=1S/C10H11BrN2O2/c11-7-5-8(10(14)15)9(12-6-7)13-3-1-2-4-13/h5-6H,1-4H2,(H,14,15)
InChI Key:
DLTPIYVWAOOBEQ-UHFFFAOYSA-N
SMILES:
Brc1cnc(c(c1)C(=O)O)N1CCCC1
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.114g/mol
Monoisotopic Mass:
270g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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